2-amino-2-[4-[1-(3-cyanophenyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-yl]-N,N-dimethylacetamide

C27H25N7O — CID 68827578

IUPAC2-amino-2-[4-[1-(3-cyanophenyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C(N)c1nccc(C(c2cccc(C#N)c2)C(c2cccnc2)c2cccnc2)n1
InChIInChI=1S/C27H25N7O/c1-34(2)27(35)25(29)26-32-13-10-22(33-26)24(19-7-3-6-18(14-19)15-28)23(20-8-4-11-30-16-20)21-9-5-12-31-17-21/h3-14,16-17,23-25H,29H2,1-2H3
InChIKeyFTRLQGPVXHPERK-UHFFFAOYSA-N
MW463.55 g/mol
LogP3.19
Rot. Bonds7

About 2-amino-2-[4-[1-(3-cyanophenyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-yl]-N,N-dimethylacetamide

2-amino-2-[4-[1-(3-cyanophenyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-yl]-N,N-dimethylacetamide (PubChem CID 68827578) has the molecular formula C27H25N7O and a molecular weight of 463.55 g/mol. Its IUPAC name is 2-amino-2-[4-[1-(3-cyanophenyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-amino-2-[4-[1-(3-cyanophenyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-yl]-N,N-dimethylacetamide
PubChem CID68827578
Molecular FormulaC27H25N7O
Molecular Weight463.55 g/mol
Exact Mass463.21
IUPAC Name2-amino-2-[4-[1-(3-cyanophenyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C(N)c1nccc(C(c2cccc(C#N)c2)C(c2cccnc2)c2cccnc2)n1
InChIInChI=1S/C27H25N7O/c1-34(2)27(35)25(29)26-32-13-10-22(33-26)24(19-7-3-6-18(14-19)15-28)23(20-8-4-11-30-16-20)21-9-5-12-31-17-21/h3-14,16-17,23-25H,29H2,1-2H3
InChIKeyFTRLQGPVXHPERK-UHFFFAOYSA-N
XLogP3.19
TPSA121.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.55
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-amino-2-[4-[1-(3-cyanophenyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-yl]-N,N-dimethylacetamide with MolForge

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Related Compounds

N-[6-[(1R)-1-(3-cyanophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide
CID 11676868
3-[hydroxy(pyridin-3-yl)methyl]benzonitrile
CID 14989408
3-[1-[6-[2-(2-aminoethyl)hydrazinyl]oxy-2-pyridinyl]-2,2-dipyridin-3-ylethyl]benzonitrile
CID 143178455
3-[1-(cyanomethylamino)-2,2-dipyridin-3-ylethyl]benzonitrile
CID 59706219
1-benzyl-3-[1-(3-cyanophenyl)-2,2-dipyridin-3-ylethyl]urea
CID 66962978
2-hydroxy-N,N-dimethyl-2-pyridin-3-ylacetamide
CID 83529938
3-[1-(2,2-dimethylpent-4-enylamino)-2,2-dipyridin-3-ylethyl]benzonitrile
CID 66962800
(2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methyl-2-phenylacetamide
CID 104897437
6-[2-(6-amino-2-pyridinyl)-1,2-dipyridin-3-ylethyl]pyridin-2-amine
CID 11639243
3-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)benzonitrile
CID 57425770
(2-methylpyrimidin-4-yl)-pyridin-3-ylmethanamine
CID 115530395
5-(1-amino-2-oxopropyl)pyridine-3-carbonitrile
CID 55292710

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-[1-(3-cyanophenyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-amino-2-[4-[1-(3-cyanophenyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-yl]-N,N-dimethylacetamide (CID 68827578) is 2-amino-2-[4-[1-(3-cyanophenyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-amino-2-[4-[1-(3-cyanophenyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-amino-2-[4-[1-(3-cyanophenyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-yl]-N,N-dimethylacetamide is CN(C)C(=O)C(N)c1nccc(C(c2cccc(C#N)c2)C(c2cccnc2)c2cccnc2)n1.
What is the InChIKey of 2-amino-2-[4-[1-(3-cyanophenyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-yl]-N,N-dimethylacetamide?
The InChIKey is FTRLQGPVXHPERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O/c1-34(2)27(35)25(29)26-32-13-10-22(33-26)24(19-7-3-6-18(14-19)15-28)23(20-8-4-11-30-16-20)21-9-5-12-31-17-21/h3-14,16-17,23-25H,29H2,1-2H3.
What are the key properties of 2-amino-2-[4-[1-(3-cyanophenyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-yl]-N,N-dimethylacetamide?
2-amino-2-[4-[1-(3-cyanophenyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-yl]-N,N-dimethylacetamide has a molecular weight of 463.55 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-[1-(3-cyanophenyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 68827578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).